CID 10690

Gluconic acid

Structural Information

Molecular Formula

C₆H₁₂O₇

SMILES

C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O

InChI

InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1

InChIKey

RGHNJXZEOKUKBD-SQOUGZDYSA-N

Compound name

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 7666
References: 226571
Patents: 196.0583 Da
Monoisotopic Mass: -3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.06558	140.8
[M+Na]+	219.04752	144.1
[M-H]-	195.05102	132.6
[M+NH4]+	214.09212	155.0
[M+K]+	235.02146	144.2
[M+H-H2O]+	179.05556	136.3
[M+HCOO]-	241.05650	152.2
[M+CH3COO]-	255.07215	171.4
[M+Na-2H]-	217.03297	138.3
[M]+	196.05775	136.8
[M]-	196.05885	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe